CID 18505222

1-(2-bromoethyl)-2,3-dihydro-1h-indole hydrobromide

Structural Information

Molecular Formula
C10H12BrN
SMILES
C1CN(C2=CC=CC=C21)CCBr
InChI
InChI=1S/C10H12BrN/c11-6-8-12-7-5-9-3-1-2-4-10(9)12/h1-4H,5-8H2
InChIKey
BTWMYSHDKUSMGR-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-2,3-dihydroindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

225.0153 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02258 144.7
[M+Na]+ 248.00452 156.3
[M-H]- 224.00802 150.4
[M+NH4]+ 243.04912 168.2
[M+K]+ 263.97846 145.3
[M+H-H2O]+ 208.01256 144.8
[M+HCOO]- 270.01350 164.6
[M+CH3COO]- 284.02915 159.7
[M+Na-2H]- 245.98997 152.0
[M]+ 225.01475 162.6
[M]- 225.01585 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe